N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride

C18H21ClFN3O3 — CID 6602690

IUPACN-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride
SMILESCN(C)CCNC(=O)C(C(=O)c1ccc(F)cc1)n1ccccc1=O.Cl
InChIInChI=1S/C18H20FN3O3.ClH/c1-21(2)12-10-20-18(25)16(22-11-4-3-5-15(22)23)17(24)13-6-8-14(19)9-7-13;/h3-9,11,16H,10,12H2,1-2H3,(H,20,25);1H
InChIKeyQLQDXBMNHNPYQT-UHFFFAOYSA-N
MW381.84 g/mol
LogP1.51
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride

N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride (PubChem CID 6602690) has the molecular formula C18H21ClFN3O3 and a molecular weight of 381.84 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride
PubChem CID6602690
Molecular FormulaC18H21ClFN3O3
Molecular Weight381.84 g/mol
Exact Mass381.13
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride
SMILESCN(C)CCNC(=O)C(C(=O)c1ccc(F)cc1)n1ccccc1=O.Cl
InChIInChI=1S/C18H20FN3O3.ClH/c1-21(2)12-10-20-18(25)16(22-11-4-3-5-15(22)23)17(24)13-6-8-14(19)9-7-13;/h3-9,11,16H,10,12H2,1-2H3,(H,20,25);1H
InChIKeyQLQDXBMNHNPYQT-UHFFFAOYSA-N
XLogP1.51
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride (CID 6602690) is N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride is CN(C)CCNC(=O)C(C(=O)c1ccc(F)cc1)n1ccccc1=O.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride?
The InChIKey is QLQDXBMNHNPYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3.ClH/c1-21(2)12-10-20-18(25)16(22-11-4-3-5-15(22)23)17(24)13-6-8-14(19)9-7-13;/h3-9,11,16H,10,12H2,1-2H3,(H,20,25);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride has a molecular weight of 381.84 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide;hydrochloride is sourced from PubChem (CID 6602690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).